2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide

C16H20N2O3 — CID 102913062

IUPAC2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1ccc2ccc(CO)cc21)NC1CCOCC1
InChIInChI=1S/C16H20N2O3/c19-11-12-1-2-13-3-6-18(15(13)9-12)10-16(20)17-14-4-7-21-8-5-14/h1-3,6,9,14,19H,4-5,7-8,10-11H2,(H,17,20)
InChIKeyRPKILKLAFMGONY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.43
Rot. Bonds4

About 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide

2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 102913062) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID102913062
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1ccc2ccc(CO)cc21)NC1CCOCC1
InChIInChI=1S/C16H20N2O3/c19-11-12-1-2-13-3-6-18(15(13)9-12)10-16(20)17-14-4-7-21-8-5-14/h1-3,6,9,14,19H,4-5,7-8,10-11H2,(H,17,20)
InChIKeyRPKILKLAFMGONY-UHFFFAOYSA-N
XLogP1.43
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide
CID 102913058
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102913346
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
2-(6-bromoindol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 29140198
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 102916396

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide (CID 102913062) is 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide is O=C(Cn1ccc2ccc(CO)cc21)NC1CCOCC1.
What is the InChIKey of 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is RPKILKLAFMGONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-11-12-1-2-13-3-6-18(15(13)9-12)10-16(20)17-14-4-7-21-8-5-14/h1-3,6,9,14,19H,4-5,7-8,10-11H2,(H,17,20).
What are the key properties of 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide?
2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 102913062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).